N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C19H19N3O3S — CID 125431006

IUPACN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(-c3cccs3)[nH]n1)CC2
InChIInChI=1S/C19H19N3O3S/c1-24-16-8-11-5-6-13(12(11)9-17(16)25-2)20-19(23)15-10-14(21-22-15)18-4-3-7-26-18/h3-4,7-10,13H,5-6H2,1-2H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyYXEZRLGRSQYJJF-ZDUSSCGKSA-N
MW369.45 g/mol
LogP3.57
Rot. Bonds5

About N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 125431006) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID125431006
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(-c3cccs3)[nH]n1)CC2
InChIInChI=1S/C19H19N3O3S/c1-24-16-8-11-5-6-13(12(11)9-17(16)25-2)20-19(23)15-10-14(21-22-15)18-4-3-7-26-18/h3-4,7-10,13H,5-6H2,1-2H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyYXEZRLGRSQYJJF-ZDUSSCGKSA-N
XLogP3.57
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 125431006) is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(-c3cccs3)[nH]n1)CC2.
What is the InChIKey of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YXEZRLGRSQYJJF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-16-8-11-5-6-13(12(11)9-17(16)25-2)20-19(23)15-10-14(21-22-15)18-4-3-7-26-18/h3-4,7-10,13H,5-6H2,1-2H3,(H,20,23)(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125431006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).